6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine

• ChemBase ID: 571860
• Molecular Formular: C18H24N4
• Molecular Mass: 296.40996
• Monoisotopic Mass: 296.20009679
• SMILES: n1nc(ccc1NC1CN(CCc2ccccc2)CCC1)C
• Canonical SMILES: Cc1ccc(nn1)NC1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C18H24N4/c1-15-9-10-18(21-20-15)19-17-8-5-12-22(14-17)13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,19,21)
• InChIKey: QFOVRFJAXWGLED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine
• IUPAC Traditional name: 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine
• Synonyms: 6-methyl-N-[1-(2-phenylethyl)-3-piperidinyl]-3-pyridazinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.223457
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.66821325
• LogD (pH = 7.4): 0.9828448
• Log P: 2.4717526
• Molar Refractivity: 93.4611 cm^3
• Polarizability: 34.67174 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.52
• LOG S: -2.51
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 5